1-Pentoxybenzotriazole
TL;DR: 1-Pentoxybenzotriazole (CAS 60455-00-7) is a chemical compound with molecular formula C11H15N3O and molecular weight 205.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-pentoxybenzotriazole
Also Known As: 1-pentoxybenzotriazole, 1-pentyloxy-1H-benzotriazole, 1-(Pentyloxy)-1H-1,2,3-benzotriazole
| Molecular Formula | C11H15N3O |
|---|---|
| Molecular Weight | 205.12 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 39.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 205.1215 |
| Heavy Atoms | 15 |
| Complexity | 189.0 |
Chemical Identifiers
| CAS Number | 60455-00-7 |
|---|---|
| SMILES | CCCCCON1C2=CC=CC=C2N=N1 |
| InChIKey | AXZTWHHHIRFDOQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Pentoxybenzotriazole (CAS 60455-00-7), with molecular formula C11H15N3O and molecular weight 205.12 g/mol. IUPAC: 1-pentoxybenzotriazole.
Chemical Property Profile of 1-Pentoxybenzotriazole
Property Insights of 1-Pentoxybenzotriazole
The XLogP value of 3.3 indicates that 1-Pentoxybenzotriazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.9 Ų, 1-Pentoxybenzotriazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Pentoxybenzotriazole has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Pentoxybenzotriazole?
The CAS number of 1-Pentoxybenzotriazole is 60455-00-7.
What is the molecular formula of 1-Pentoxybenzotriazole?
The molecular formula of 1-Pentoxybenzotriazole is C11H15N3O.
What is the molecular weight of 1-Pentoxybenzotriazole?
The molecular weight of 1-Pentoxybenzotriazole is 205.12 g/mol.
Where can I buy 1-Pentoxybenzotriazole?
You can request a quote for 1-Pentoxybenzotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Pentoxybenzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 1-Pentoxybenzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.